[3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride

Systemtic Name: [3-(4-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride Openeye Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride CAS Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-pyridin-1-iumyl)methanone chloride IUPAC Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-ylmethanone chloride Traditional Name: [3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-pyridin-1-ium-2-yl-methanone chloride Formula: C16H12BrClF3N3O2 MolecularWeight: 450.63759

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=[NH+]2)C3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=[NH+]2)C3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C16H11BrF3N3O2.ClH/c17-11-6-4-10(5-7-11)13-9-15(25,16(18,19)20)23(22-13)14(24)12-3-1-2-8-21-12;/h1-8,25H,9H2;1H